Information card for entry 1548922

Structure parameters

• Chemical name: Th(CNXylCH2SiMe3)(BIMA)3
• Formula: C37 H71 N7 Si Th
• Calculated formula: C37 H71 N7 Si Th
• SMILES: CC(C)N1C(=[N](C(C)C)[Th]2341(C(C[Si](C)(C)C)=[N]4c1c(C)cccc1C)([N](=C(C)N2C(C)C)C(C)C)N(C(C)C)C(=[N]3C(C)C)C)C
• Title of publication: Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.
• Authors of publication: Settineri, Nicholas S.; Arnold, John
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 2831 - 2841
• a: 10.9839 ± 0.0005 Å
• b: 20.99 ± 0.0008 Å
• c: 18.246 ± 0.0008 Å
• α: 90°
• β: 93.46 ± 0.0018°
• γ: 90°
• Cell volume: 4199 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.0491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No